6-bromo-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-amine

C12H9BrN4OS — CID 55053541

IUPAC6-bromo-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-amine
SMILESCc1nnc(Sc2c(N)cnc3ccc(Br)cc23)o1
InChIInChI=1S/C12H9BrN4OS/c1-6-16-17-12(18-6)19-11-8-4-7(13)2-3-10(8)15-5-9(11)14/h2-5H,14H2,1H3
InChIKeyUADNZLVJDZQACL-UHFFFAOYSA-N
MW337.20 g/mol
LogP3.42
Rot. Bonds2

About 6-bromo-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-amine

6-bromo-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-amine (PubChem CID 55053541) has the molecular formula C12H9BrN4OS and a molecular weight of 337.20 g/mol. Its IUPAC name is 6-bromo-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-amine.

Molecular Properties

Compound Name6-bromo-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-amine
PubChem CID55053541
Molecular FormulaC12H9BrN4OS
Molecular Weight337.20 g/mol
Exact Mass335.97
IUPAC Name6-bromo-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-amine
SMILESCc1nnc(Sc2c(N)cnc3ccc(Br)cc23)o1
InChIInChI=1S/C12H9BrN4OS/c1-6-16-17-12(18-6)19-11-8-4-7(13)2-3-10(8)15-5-9(11)14/h2-5H,14H2,1H3
InChIKeyUADNZLVJDZQACL-UHFFFAOYSA-N
XLogP3.42
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-bromo-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-amine?
The IUPAC name of 6-bromo-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-amine (CID 55053541) is 6-bromo-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-amine.
What is the SMILES notation for 6-bromo-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-amine?
The canonical SMILES for 6-bromo-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-amine is Cc1nnc(Sc2c(N)cnc3ccc(Br)cc23)o1.
What is the InChIKey of 6-bromo-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-amine?
The InChIKey is UADNZLVJDZQACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4OS/c1-6-16-17-12(18-6)19-11-8-4-7(13)2-3-10(8)15-5-9(11)14/h2-5H,14H2,1H3.
What are the key properties of 6-bromo-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-amine?
6-bromo-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-amine has a molecular weight of 337.20 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-amine is sourced from PubChem (CID 55053541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).